tert-butyl 2-[[1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[[1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[1-(3-benzoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-(3-benzoylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-[3-(benzoylthio)-2-methyl-propanoyl]prolyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C29H36N2O5S MolecularWeight: 524.67154

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H36N2O5S/c1-20(19-37-28(35)22-14-9-6-10-15-22)26(33)31-17-11-16-24(31)25(32)30-23(27(34)36-29(2,3)4)18-21-12-7-5-8-13-21/h5-10,12-15,20,23-24H,11,16-19H2,1-4H3,(H,30,32)